SCHEMBL4620259

SCHEMBL4620259

Nc1ccc2ccc(=O)oc2c1.O=c1cc(C(F)(F)F)c2ccccc2o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.68
ALDH1A1 P00352 4/20 0.68
HPGD P15428 4/20 0.68
KMT2A Q03164 4/20 0.68
MEN1 O00255 3/20 0.68
GAA P10253 2/20 0.68
CASP1 P29466 2/20 0.68
CASP7 P55210 2/20 0.68
HSD17B10 Q99714 2/20 0.68
SRC P12931 1/20 0.68
ATM Q13315 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
TLR9 Q9NR96 1/20 0.68
NQO1 P15559 1/20 0.48
HSD17B3 P37058 1/20 0.47
MCL1 Q07820 2/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA9 Q16790 2/20 0.44
CA2 P00918 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL698688 0.83 ALDH1A1 (0.63) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL30177134 0.83 ALDH1A1 (0.63) KDM4EALDH1A1HPGDKMT2AMEN1
Esculetin SCHEMBL4065440 0.83 MCL1 (0.61) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL144309 0.82 KDM4E (1.00) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL29356441 0.82 KDM4E (1.00) KDM4EALDH1A1HPGDKMT2AMEN1
Ammonia Solution, Strong SCHEMBL599296 0.82 ALDH1A1 (0.61) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL9055704 0.80 ALDH1A1 (0.66) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL1771156 0.79 KDM4E (0.77) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL456597 0.77 CA12 (0.59) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL31331748 0.77 CA12 (0.59) KDM4EALDH1A1HPGDKMT2AMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280856-A1 Fibroblast Activation Protein Inhibitor Compounds and Methods GENENTECH, INC. (US) 2008-11-13 US disclosed
EP-1943257-A2 FIBROBLAST ACTIVATION PROTEIN INHIBITOR COMPOUNDS AND METHODS Genentech, Inc. (US) 2008-07-16 EP disclosed
US-7399869-B2 N-blocked peptide proline boronate compounds; hyperproliferative disorders like cancer, neurodegeneration, cardiac hypertrophy, pain, migraine, neurotraumatic disease, cirrhosis, fibromatosis, and rheumatoid arthritis GENENTECH, INC. (US) 2008-07-15 US disclosed
US-20060276435-A1 Fibroblast activation protein inhibitor compounds and methods GENENTECH, INC. (US) 2006-12-07 US disclosed
WO-2006125227-A2 FIBROBLAST ACTIVATION PROTEIN INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2006-11-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060276435-A1 Fibroblast activation protein inhibitor compounds and methods FAP, FIBP, FGFR1 KDM4E 4095/4885ALDH1A1 2905/4885HPGD 3109/4885
US-20080280856-A1 Fibroblast Activation Protein Inhibitor Compounds and Methods FAP, FIBP, FGFR1 KDM4E 4095/4885ALDH1A1 2905/4885HPGD 3109/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.